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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15O2.Na
Molecular Weight 166.1933
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2,2-diethylbutanoate

SMILES

[Na+].CCC(CC)(CC)C([O-])=O

InChI

InChIKey=WAVRPRRUNVFYIA-UHFFFAOYSA-M
InChI=1S/C8H16O2.Na/c1-4-8(5-2,6-3)7(9)10;/h4-6H2,1-3H3,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C8H15O2
Molecular Weight 143.2035
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:22:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:22:28 GMT 2023
Record UNII
6S9FS446ZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2,2-diethylbutanoate
Systematic Name English
Butanoic acid, 2,2-diethyl-, sodium salt (1:1)
Common Name English
Butyric acid, α,α-diethyl-, sodium salt
Common Name English
Code System Code Type Description
FDA UNII
6S9FS446ZR
Created by admin on Sat Dec 16 19:22:28 GMT 2023 , Edited by admin on Sat Dec 16 19:22:28 GMT 2023
PRIMARY
CAS
861777-38-0
Created by admin on Sat Dec 16 19:22:28 GMT 2023 , Edited by admin on Sat Dec 16 19:22:28 GMT 2023
PRIMARY
PUBCHEM
87726810
Created by admin on Sat Dec 16 19:22:28 GMT 2023 , Edited by admin on Sat Dec 16 19:22:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE